N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide

C16H25N5O3 — CID 118744485

IUPACN,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide
SMILESCN(C)C(=O)CN1CCOCC2(C1)CN(c1ncccn1)CCO2
InChIInChI=1S/C16H25N5O3/c1-19(2)14(22)10-20-6-8-23-13-16(11-20)12-21(7-9-24-16)15-17-4-3-5-18-15/h3-5H,6-13H2,1-2H3
InChIKeyIEYLYIMPNJPPOT-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.53
Rot. Bonds3

About N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide

N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide (PubChem CID 118744485) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide
PubChem CID118744485
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide
SMILESCN(C)C(=O)CN1CCOCC2(C1)CN(c1ncccn1)CCO2
InChIInChI=1S/C16H25N5O3/c1-19(2)14(22)10-20-6-8-23-13-16(11-20)12-21(7-9-24-16)15-17-4-3-5-18-15/h3-5H,6-13H2,1-2H3
InChIKeyIEYLYIMPNJPPOT-UHFFFAOYSA-N
XLogP-0.53
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Cambridge id 6541060
CID 787681
Ethyl 2-[(4-pyrimidin-2-ylpiperazinyl)carbonylamino]acetate
CID 17174442
1-Morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 75369968
2-(Dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone
CID 97399494
2-(Dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450998
2-Methyl-1-(8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)propan-1-one
CID 118740967
8-Pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118740969
4-Methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740971
2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
CID 118744487
Ethyl 2-[4-(2-pyrimidinyl)piperazino]acetate
CID 15589464
2-[2-methoxyethyl(pyrimidin-2-yl)amino]-N,N-dimethylacetamide
CID 71981404
2-[2-methoxyethyl-(2-methylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 72109270

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide (CID 118744485) is N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide is CN(C)C(=O)CN1CCOCC2(C1)CN(c1ncccn1)CCO2.
What is the InChIKey of N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide?
The InChIKey is IEYLYIMPNJPPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-19(2)14(22)10-20-6-8-23-13-16(11-20)12-21(7-9-24-16)15-17-4-3-5-18-15/h3-5H,6-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide?
N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of -0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide is sourced from PubChem (CID 118744485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).